USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 SER OG : rot -60:sc= 1.11 USER MOD Set 1.2: A 8 LYS NZ :NH3+ -110:sc= 0.816 (180deg=-1.23!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0454 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.36! C(o=-1.4!,f=-5.6!) USER MOD Single : A 10 MET CE :methyl -113:sc= -5.03! (180deg=-11.7!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -40:sc= 0.479 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.9!) USER MOD Single : A 25 TYR OH : rot 132:sc= -1.29 USER MOD Single : A 29 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.23) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -0.0517 (180deg=-0.119) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.669 USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= -0.0518 (180deg=-0.484) USER MOD Single : A 43 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=-0.0018) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -150:sc= -1.87 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.6) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.225) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.759 -7.569 -0.609 1.00 0.00 N ATOM 2 CA MET A 1 -15.088 -8.810 -0.263 1.00 0.00 C ATOM 3 C MET A 1 -13.646 -8.814 -0.775 1.00 0.00 C ATOM 4 O MET A 1 -13.347 -8.214 -1.806 1.00 0.00 O ATOM 5 CB MET A 1 -15.849 -9.989 -0.873 1.00 0.00 C ATOM 6 CG MET A 1 -16.880 -10.544 0.112 1.00 0.00 C ATOM 7 SD MET A 1 -16.066 -11.530 1.357 1.00 0.00 S ATOM 8 CE MET A 1 -17.329 -11.543 2.618 1.00 0.00 C ATOM 0 H1 MET A 1 -16.727 -7.775 -0.929 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.795 -6.949 0.225 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.236 -7.093 -1.372 1.00 0.00 H new ATOM 0 HA MET A 1 -15.069 -8.901 0.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.349 -9.670 -1.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.147 -10.775 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.423 -9.725 0.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.614 -11.149 -0.420 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.982 -12.121 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.541 -10.521 2.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.237 -11.995 2.219 1.00 0.00 H new ATOM 16 N ALA A 2 -12.790 -9.498 -0.029 1.00 0.00 N ATOM 17 CA ALA A 2 -11.386 -9.588 -0.394 1.00 0.00 C ATOM 18 C ALA A 2 -10.678 -10.557 0.555 1.00 0.00 C ATOM 19 O ALA A 2 -11.329 -11.307 1.281 1.00 0.00 O ATOM 20 CB ALA A 2 -10.762 -8.191 -0.373 1.00 0.00 C ATOM 0 H ALA A 2 -13.042 -9.995 0.826 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.277 -9.978 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.709 -8.259 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.282 -7.550 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.850 -7.768 0.628 1.00 0.00 H new ATOM 26 N ASP A 3 -9.354 -10.510 0.518 1.00 0.00 N ATOM 27 CA ASP A 3 -8.551 -11.375 1.365 1.00 0.00 C ATOM 28 C ASP A 3 -7.270 -10.641 1.767 1.00 0.00 C ATOM 29 O ASP A 3 -7.046 -9.505 1.353 1.00 0.00 O ATOM 30 CB ASP A 3 -8.152 -12.654 0.627 1.00 0.00 C ATOM 31 CG ASP A 3 -7.807 -13.841 1.528 1.00 0.00 C ATOM 32 OD1 ASP A 3 -7.814 -13.637 2.762 1.00 0.00 O ATOM 33 OD2 ASP A 3 -7.545 -14.925 0.964 1.00 0.00 O ATOM 0 H ASP A 3 -8.818 -9.886 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.146 -11.636 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.969 -12.944 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.292 -12.436 -0.007 1.00 0.00 H new ATOM 37 N SER A 4 -6.463 -11.320 2.569 1.00 0.00 N ATOM 38 CA SER A 4 -5.211 -10.747 3.031 1.00 0.00 C ATOM 39 C SER A 4 -4.065 -11.191 2.119 1.00 0.00 C ATOM 40 O SER A 4 -2.935 -11.363 2.575 1.00 0.00 O ATOM 41 CB SER A 4 -4.923 -11.147 4.479 1.00 0.00 C ATOM 42 OG SER A 4 -3.643 -10.695 4.914 1.00 0.00 O ATOM 0 H SER A 4 -6.652 -12.262 2.911 1.00 0.00 H new ATOM 0 HA SER A 4 -5.297 -9.661 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.694 -10.733 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.975 -12.232 4.573 1.00 0.00 H new ATOM 0 HG SER A 4 -2.948 -11.082 4.342 1.00 0.00 H new ATOM 47 N ALA A 5 -4.395 -11.364 0.848 1.00 0.00 N ATOM 48 CA ALA A 5 -3.407 -11.784 -0.131 1.00 0.00 C ATOM 49 C ALA A 5 -3.440 -10.828 -1.325 1.00 0.00 C ATOM 50 O ALA A 5 -2.394 -10.394 -1.806 1.00 0.00 O ATOM 51 CB ALA A 5 -3.677 -13.234 -0.538 1.00 0.00 C ATOM 0 H ALA A 5 -5.333 -11.221 0.473 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.404 -11.745 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.936 -13.550 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.614 -13.876 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.674 -13.310 -0.972 1.00 0.00 H new ATOM 57 N GLU A 6 -4.651 -10.528 -1.770 1.00 0.00 N ATOM 58 CA GLU A 6 -4.834 -9.632 -2.898 1.00 0.00 C ATOM 59 C GLU A 6 -4.313 -8.234 -2.556 1.00 0.00 C ATOM 60 O GLU A 6 -3.713 -7.568 -3.398 1.00 0.00 O ATOM 61 CB GLU A 6 -6.302 -9.580 -3.325 1.00 0.00 C ATOM 62 CG GLU A 6 -6.599 -8.303 -4.114 1.00 0.00 C ATOM 63 CD GLU A 6 -7.579 -8.579 -5.256 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.196 -9.355 -6.158 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.689 -8.007 -5.201 1.00 0.00 O ATOM 0 H GLU A 6 -5.516 -10.890 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.258 -10.017 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.538 -10.452 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.942 -9.625 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.015 -7.548 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.671 -7.896 -4.517 1.00 0.00 H new ATOM 70 N LEU A 7 -4.561 -7.832 -1.318 1.00 0.00 N ATOM 71 CA LEU A 7 -4.124 -6.527 -0.853 1.00 0.00 C ATOM 72 C LEU A 7 -2.602 -6.428 -0.980 1.00 0.00 C ATOM 73 O LEU A 7 -2.076 -5.399 -1.403 1.00 0.00 O ATOM 74 CB LEU A 7 -4.642 -6.260 0.561 1.00 0.00 C ATOM 75 CG LEU A 7 -6.143 -6.465 0.776 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.444 -6.837 2.229 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.934 -5.236 0.324 1.00 0.00 C ATOM 0 H LEU A 7 -5.059 -8.388 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.548 -5.740 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.104 -6.909 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.394 -5.233 0.830 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.465 -7.302 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.518 -6.977 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.926 -7.762 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.103 -6.038 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.998 -5.408 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.614 -4.366 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.754 -5.057 -0.736 1.00 0.00 H new ATOM 88 N LYS A 8 -1.938 -7.511 -0.605 1.00 0.00 N ATOM 89 CA LYS A 8 -0.487 -7.560 -0.671 1.00 0.00 C ATOM 90 C LYS A 8 -0.043 -7.428 -2.129 1.00 0.00 C ATOM 91 O LYS A 8 0.808 -6.599 -2.450 1.00 0.00 O ATOM 92 CB LYS A 8 0.039 -8.819 0.020 1.00 0.00 C ATOM 93 CG LYS A 8 1.178 -8.479 0.985 1.00 0.00 C ATOM 94 CD LYS A 8 1.145 -9.390 2.214 1.00 0.00 C ATOM 95 CE LYS A 8 -0.138 -9.177 3.020 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.743 -10.477 3.384 1.00 0.00 N ATOM 0 H LYS A 8 -2.378 -8.362 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.052 -6.721 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.771 -9.305 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.391 -9.529 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.135 -8.585 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.096 -7.438 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.213 -10.432 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.012 -9.189 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.083 -8.607 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.847 -8.590 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.623 -10.613 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.078 -11.244 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.954 -10.489 4.402 1.00 0.00 H new ATOM 106 N GLN A 9 -0.638 -8.257 -2.974 1.00 0.00 N ATOM 107 CA GLN A 9 -0.314 -8.244 -4.390 1.00 0.00 C ATOM 108 C GLN A 9 -0.615 -6.869 -4.990 1.00 0.00 C ATOM 109 O GLN A 9 0.160 -6.357 -5.797 1.00 0.00 O ATOM 110 CB GLN A 9 -1.071 -9.344 -5.136 1.00 0.00 C ATOM 111 CG GLN A 9 -0.254 -10.637 -5.181 1.00 0.00 C ATOM 112 CD GLN A 9 0.935 -10.501 -6.134 1.00 0.00 C ATOM 113 OE1 GLN A 9 1.610 -9.486 -6.185 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.154 -11.577 -6.884 1.00 0.00 N ATOM 0 H GLN A 9 -1.343 -8.943 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 9 0.752 -8.443 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.026 -9.530 -4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.293 -9.014 -6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.103 -10.881 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.890 -11.462 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.551 -12.394 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.925 -11.585 -7.552 1.00 0.00 H new ATOM 121 N MET A 10 -1.741 -6.310 -4.573 1.00 0.00 N ATOM 122 CA MET A 10 -2.153 -5.004 -5.059 1.00 0.00 C ATOM 123 C MET A 10 -1.180 -3.916 -4.601 1.00 0.00 C ATOM 124 O MET A 10 -0.770 -3.070 -5.395 1.00 0.00 O ATOM 125 CB MET A 10 -3.557 -4.685 -4.540 1.00 0.00 C ATOM 126 CG MET A 10 -4.614 -5.515 -5.272 1.00 0.00 C ATOM 127 SD MET A 10 -6.207 -5.295 -4.497 1.00 0.00 S ATOM 128 CE MET A 10 -6.401 -3.530 -4.684 1.00 0.00 C ATOM 0 H MET A 10 -2.381 -6.737 -3.904 1.00 0.00 H new ATOM 0 HA MET A 10 -2.155 -5.027 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.608 -4.887 -3.470 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.766 -3.624 -4.674 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.665 -5.214 -6.318 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.335 -6.569 -5.257 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.372 -3.055 -3.703 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.592 -3.138 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.357 -3.318 -5.162 1.00 0.00 H new ATOM 136 N VAL A 11 -0.838 -3.973 -3.322 1.00 0.00 N ATOM 137 CA VAL A 11 0.080 -3.003 -2.749 1.00 0.00 C ATOM 138 C VAL A 11 1.444 -3.134 -3.429 1.00 0.00 C ATOM 139 O VAL A 11 2.127 -2.137 -3.655 1.00 0.00 O ATOM 140 CB VAL A 11 0.148 -3.182 -1.231 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.394 -2.505 -0.655 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.121 -2.656 -0.559 1.00 0.00 C ATOM 0 H VAL A 11 -1.180 -4.676 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.275 -1.988 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 11 0.219 -4.250 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.419 -2.647 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.286 -2.946 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.366 -1.439 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.046 -2.796 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.237 -1.595 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.986 -3.202 -0.936 1.00 0.00 H new ATOM 152 N MET A 12 1.800 -4.373 -3.735 1.00 0.00 N ATOM 153 CA MET A 12 3.071 -4.647 -4.384 1.00 0.00 C ATOM 154 C MET A 12 3.125 -4.010 -5.774 1.00 0.00 C ATOM 155 O MET A 12 4.185 -3.958 -6.396 1.00 0.00 O ATOM 156 CB MET A 12 3.265 -6.160 -4.509 1.00 0.00 C ATOM 157 CG MET A 12 3.925 -6.733 -3.253 1.00 0.00 C ATOM 158 SD MET A 12 4.672 -8.311 -3.622 1.00 0.00 S ATOM 159 CE MET A 12 6.219 -8.134 -2.748 1.00 0.00 C ATOM 0 H MET A 12 1.231 -5.198 -3.546 1.00 0.00 H new ATOM 0 HA MET A 12 3.868 -4.218 -3.776 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.301 -6.642 -4.670 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.881 -6.381 -5.381 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.681 -6.041 -2.882 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.183 -6.848 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.814 -9.039 -2.874 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.767 -7.281 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.022 -7.975 -1.688 1.00 0.00 H new ATOM 167 N SER A 13 1.969 -3.541 -6.221 1.00 0.00 N ATOM 168 CA SER A 13 1.872 -2.909 -7.525 1.00 0.00 C ATOM 169 C SER A 13 1.824 -1.388 -7.368 1.00 0.00 C ATOM 170 O SER A 13 1.653 -0.663 -8.347 1.00 0.00 O ATOM 171 CB SER A 13 0.639 -3.402 -8.286 1.00 0.00 C ATOM 172 OG SER A 13 0.622 -2.938 -9.633 1.00 0.00 O ATOM 0 H SER A 13 1.092 -3.586 -5.703 1.00 0.00 H new ATOM 0 HA SER A 13 2.756 -3.181 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.620 -4.492 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.262 -3.063 -7.775 1.00 0.00 H new ATOM 0 HG SER A 13 0.929 -2.008 -9.662 1.00 0.00 H new ATOM 177 N LEU A 14 1.979 -0.948 -6.127 1.00 0.00 N ATOM 178 CA LEU A 14 1.956 0.474 -5.829 1.00 0.00 C ATOM 179 C LEU A 14 3.373 1.038 -5.947 1.00 0.00 C ATOM 180 O LEU A 14 4.348 0.338 -5.681 1.00 0.00 O ATOM 181 CB LEU A 14 1.306 0.725 -4.467 1.00 0.00 C ATOM 182 CG LEU A 14 -0.147 0.265 -4.322 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.637 0.445 -2.884 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.051 0.978 -5.330 1.00 0.00 C ATOM 0 H LEU A 14 2.121 -1.551 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 14 1.339 1.005 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.903 0.225 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.351 1.794 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.193 -0.801 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.672 0.111 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.015 -0.145 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.574 1.497 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.078 0.633 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.007 2.054 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.714 0.756 -6.342 1.00 0.00 H new ATOM 195 N ARG A 15 3.442 2.300 -6.348 1.00 0.00 N ATOM 196 CA ARG A 15 4.723 2.966 -6.504 1.00 0.00 C ATOM 197 C ARG A 15 5.125 3.657 -5.200 1.00 0.00 C ATOM 198 O ARG A 15 4.330 3.737 -4.265 1.00 0.00 O ATOM 199 CB ARG A 15 4.671 4.003 -7.628 1.00 0.00 C ATOM 200 CG ARG A 15 3.755 5.171 -7.254 1.00 0.00 C ATOM 201 CD ARG A 15 3.268 5.908 -8.503 1.00 0.00 C ATOM 202 NE ARG A 15 4.400 6.605 -9.154 1.00 0.00 N ATOM 203 CZ ARG A 15 4.264 7.664 -9.964 1.00 0.00 C ATOM 204 NH1 ARG A 15 3.045 8.153 -10.228 1.00 0.00 N ATOM 205 NH2 ARG A 15 5.347 8.233 -10.510 1.00 0.00 N ATOM 0 H ARG A 15 2.631 2.878 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 15 5.462 2.207 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.675 4.374 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.313 3.534 -8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.899 4.800 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.290 5.864 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.817 5.201 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.495 6.627 -8.233 1.00 0.00 H new ATOM 0 HE ARG A 15 5.342 6.258 -8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.221 7.719 -9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.941 8.959 -10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.275 7.860 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.244 9.039 -11.127 1.00 0.00 H new ATOM 216 N VAL A 16 6.359 4.140 -5.179 1.00 0.00 N ATOM 217 CA VAL A 16 6.876 4.822 -4.005 1.00 0.00 C ATOM 218 C VAL A 16 5.911 5.939 -3.603 1.00 0.00 C ATOM 219 O VAL A 16 5.578 6.083 -2.427 1.00 0.00 O ATOM 220 CB VAL A 16 8.295 5.326 -4.275 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.813 6.160 -3.102 1.00 0.00 C ATOM 222 CG2 VAL A 16 9.241 4.164 -4.582 1.00 0.00 C ATOM 0 H VAL A 16 7.016 4.072 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 16 6.945 4.133 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 16 8.260 5.970 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.823 6.506 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.160 7.019 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.825 5.550 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.243 4.550 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.268 3.483 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.887 3.630 -5.464 1.00 0.00 H new ATOM 232 N SER A 17 5.488 6.700 -4.601 1.00 0.00 N ATOM 233 CA SER A 17 4.568 7.800 -4.366 1.00 0.00 C ATOM 234 C SER A 17 3.286 7.279 -3.714 1.00 0.00 C ATOM 235 O SER A 17 2.763 7.894 -2.787 1.00 0.00 O ATOM 236 CB SER A 17 4.241 8.532 -5.669 1.00 0.00 C ATOM 237 OG SER A 17 4.708 9.879 -5.656 1.00 0.00 O ATOM 0 H SER A 17 5.765 6.577 -5.575 1.00 0.00 H new ATOM 0 HA SER A 17 5.048 8.510 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.692 8.000 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.163 8.523 -5.829 1.00 0.00 H new ATOM 0 HG SER A 17 4.482 10.312 -6.506 1.00 0.00 H new ATOM 242 N GLU A 18 2.817 6.150 -4.225 1.00 0.00 N ATOM 243 CA GLU A 18 1.606 5.539 -3.704 1.00 0.00 C ATOM 244 C GLU A 18 1.825 5.069 -2.264 1.00 0.00 C ATOM 245 O GLU A 18 0.980 5.292 -1.399 1.00 0.00 O ATOM 246 CB GLU A 18 1.148 4.382 -4.594 1.00 0.00 C ATOM 247 CG GLU A 18 0.224 4.880 -5.708 1.00 0.00 C ATOM 248 CD GLU A 18 0.550 4.195 -7.037 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.167 3.109 -6.980 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.174 4.772 -8.080 1.00 0.00 O ATOM 0 H GLU A 18 3.254 5.642 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 18 0.815 6.289 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.016 3.888 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.628 3.638 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.814 4.685 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.328 5.960 -5.816 1.00 0.00 H new ATOM 255 N LEU A 19 2.965 4.428 -2.052 1.00 0.00 N ATOM 256 CA LEU A 19 3.306 3.925 -0.732 1.00 0.00 C ATOM 257 C LEU A 19 3.278 5.079 0.271 1.00 0.00 C ATOM 258 O LEU A 19 2.843 4.907 1.409 1.00 0.00 O ATOM 259 CB LEU A 19 4.640 3.177 -0.773 1.00 0.00 C ATOM 260 CG LEU A 19 4.576 1.715 -1.218 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.644 0.906 -0.314 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.180 1.608 -2.692 1.00 0.00 C ATOM 0 H LEU A 19 3.664 4.245 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 19 2.568 3.195 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.313 3.711 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.085 3.214 0.221 1.00 0.00 H new ATOM 0 HG LEU A 19 5.572 1.284 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.617 -0.130 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.010 0.943 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.640 1.328 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.142 0.558 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.200 2.061 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.916 2.128 -3.305 1.00 0.00 H new ATOM 273 N GLN A 20 3.749 6.230 -0.186 1.00 0.00 N ATOM 274 CA GLN A 20 3.784 7.413 0.658 1.00 0.00 C ATOM 275 C GLN A 20 2.376 7.757 1.147 1.00 0.00 C ATOM 276 O GLN A 20 2.203 8.238 2.266 1.00 0.00 O ATOM 277 CB GLN A 20 4.413 8.596 -0.081 1.00 0.00 C ATOM 278 CG GLN A 20 5.904 8.358 -0.327 1.00 0.00 C ATOM 279 CD GLN A 20 6.726 9.591 0.057 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.214 10.688 0.208 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.025 9.349 0.205 1.00 0.00 N ATOM 0 H GLN A 20 4.110 6.369 -1.130 1.00 0.00 H new ATOM 0 HA GLN A 20 4.407 7.198 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.903 8.748 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.278 9.507 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.239 7.498 0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.069 8.119 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.387 8.406 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.659 10.106 0.460 1.00 0.00 H new ATOM 288 N VAL A 21 1.404 7.499 0.283 1.00 0.00 N ATOM 289 CA VAL A 21 0.017 7.776 0.613 1.00 0.00 C ATOM 290 C VAL A 21 -0.475 6.749 1.635 1.00 0.00 C ATOM 291 O VAL A 21 -1.160 7.101 2.594 1.00 0.00 O ATOM 292 CB VAL A 21 -0.829 7.803 -0.662 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.719 6.562 -0.755 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.662 9.083 -0.740 1.00 0.00 C ATOM 0 H VAL A 21 1.550 7.101 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.077 8.761 1.071 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.151 7.793 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.310 6.606 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.096 5.668 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.386 6.527 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.254 9.077 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.327 9.137 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.000 9.949 -0.742 1.00 0.00 H new ATOM 304 N LEU A 22 -0.107 5.499 1.395 1.00 0.00 N ATOM 305 CA LEU A 22 -0.502 4.419 2.282 1.00 0.00 C ATOM 306 C LEU A 22 0.031 4.699 3.689 1.00 0.00 C ATOM 307 O LEU A 22 -0.700 4.573 4.670 1.00 0.00 O ATOM 308 CB LEU A 22 -0.058 3.069 1.714 1.00 0.00 C ATOM 309 CG LEU A 22 -0.386 2.821 0.240 1.00 0.00 C ATOM 310 CD1 LEU A 22 0.105 1.443 -0.206 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.880 3.013 -0.028 1.00 0.00 C ATOM 0 H LEU A 22 0.461 5.210 0.598 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.588 4.366 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.020 2.979 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.519 2.279 2.306 1.00 0.00 H new ATOM 0 HG LEU A 22 0.146 3.561 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.141 1.292 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.185 1.381 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.379 0.672 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.087 2.831 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.452 2.312 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.167 4.033 0.227 1.00 0.00 H new ATOM 322 N LEU A 23 1.301 5.073 3.742 1.00 0.00 N ATOM 323 CA LEU A 23 1.940 5.373 5.012 1.00 0.00 C ATOM 324 C LEU A 23 1.466 6.740 5.507 1.00 0.00 C ATOM 325 O LEU A 23 1.097 6.889 6.671 1.00 0.00 O ATOM 326 CB LEU A 23 3.461 5.258 4.886 1.00 0.00 C ATOM 327 CG LEU A 23 3.998 3.888 4.469 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.382 3.634 5.070 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.007 2.778 4.825 1.00 0.00 C ATOM 0 H LEU A 23 1.905 5.175 2.926 1.00 0.00 H new ATOM 0 HA LEU A 23 1.649 4.642 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.802 5.996 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.906 5.524 5.845 1.00 0.00 H new ATOM 0 HG LEU A 23 4.112 3.883 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.740 2.653 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.075 4.401 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.318 3.667 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.414 1.815 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.837 2.773 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.063 2.954 4.310 1.00 0.00 H new ATOM 340 N GLY A 24 1.491 7.704 4.599 1.00 0.00 N ATOM 341 CA GLY A 24 1.068 9.055 4.929 1.00 0.00 C ATOM 342 C GLY A 24 -0.360 9.062 5.481 1.00 0.00 C ATOM 343 O GLY A 24 -0.643 9.736 6.470 1.00 0.00 O ATOM 0 H GLY A 24 1.798 7.577 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.748 9.484 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.122 9.684 4.041 1.00 0.00 H new ATOM 347 N TYR A 25 -1.221 8.305 4.817 1.00 0.00 N ATOM 348 CA TYR A 25 -2.611 8.217 5.228 1.00 0.00 C ATOM 349 C TYR A 25 -2.756 7.369 6.493 1.00 0.00 C ATOM 350 O TYR A 25 -3.798 7.395 7.147 1.00 0.00 O ATOM 351 CB TYR A 25 -3.348 7.526 4.078 1.00 0.00 C ATOM 352 CG TYR A 25 -4.837 7.296 4.342 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.641 8.351 4.726 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.377 6.035 4.197 1.00 0.00 C ATOM 355 CE1 TYR A 25 -7.043 8.135 4.974 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.779 5.818 4.445 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.543 6.879 4.822 1.00 0.00 C ATOM 358 OH TYR A 25 -8.867 6.675 5.057 1.00 0.00 O ATOM 0 H TYR A 25 -0.982 7.747 3.997 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.010 9.208 5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.238 8.128 3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.872 6.566 3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.218 9.338 4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.748 5.210 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.683 8.952 5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.214 4.836 4.334 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.255 6.162 4.318 1.00 0.00 H new ATOM 367 N ALA A 26 -1.696 6.636 6.800 1.00 0.00 N ATOM 368 CA ALA A 26 -1.691 5.782 7.975 1.00 0.00 C ATOM 369 C ALA A 26 -0.903 6.465 9.094 1.00 0.00 C ATOM 370 O ALA A 26 -0.954 6.035 10.246 1.00 0.00 O ATOM 371 CB ALA A 26 -1.116 4.412 7.609 1.00 0.00 C ATOM 0 H ALA A 26 -0.834 6.616 6.255 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.707 5.623 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.112 3.772 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.729 3.956 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.096 4.531 7.243 1.00 0.00 H new ATOM 377 N GLY A 27 -0.191 7.517 8.717 1.00 0.00 N ATOM 378 CA GLY A 27 0.607 8.263 9.674 1.00 0.00 C ATOM 379 C GLY A 27 2.059 7.782 9.671 1.00 0.00 C ATOM 380 O GLY A 27 2.978 8.569 9.890 1.00 0.00 O ATOM 0 H GLY A 27 -0.150 7.870 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.572 9.325 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.185 8.149 10.672 1.00 0.00 H new ATOM 384 N ARG A 28 2.220 6.491 9.420 1.00 0.00 N ATOM 385 CA ARG A 28 3.545 5.895 9.386 1.00 0.00 C ATOM 386 C ARG A 28 4.506 6.782 8.591 1.00 0.00 C ATOM 387 O ARG A 28 4.077 7.563 7.743 1.00 0.00 O ATOM 388 CB ARG A 28 3.506 4.502 8.753 1.00 0.00 C ATOM 389 CG ARG A 28 2.880 3.483 9.707 1.00 0.00 C ATOM 390 CD ARG A 28 3.946 2.833 10.592 1.00 0.00 C ATOM 391 NE ARG A 28 3.986 3.504 11.911 1.00 0.00 N ATOM 392 CZ ARG A 28 4.822 3.162 12.901 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.691 2.157 12.728 1.00 0.00 N ATOM 394 NH2 ARG A 28 4.788 3.827 14.065 1.00 0.00 N ATOM 0 H ARG A 28 1.455 5.841 9.238 1.00 0.00 H new ATOM 0 HA ARG A 28 3.895 5.805 10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.934 4.536 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.517 4.189 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.134 3.975 10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.360 2.715 9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.727 1.773 10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.921 2.901 10.110 1.00 0.00 H new ATOM 0 HE ARG A 28 3.338 4.274 12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.717 1.652 11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.327 1.897 13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.126 4.592 14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.424 3.568 14.819 1.00 0.00 H new ATOM 405 N ASN A 29 5.787 6.632 8.895 1.00 0.00 N ATOM 406 CA ASN A 29 6.811 7.410 8.220 1.00 0.00 C ATOM 407 C ASN A 29 7.080 6.804 6.841 1.00 0.00 C ATOM 408 O ASN A 29 7.022 5.587 6.671 1.00 0.00 O ATOM 409 CB ASN A 29 8.123 7.394 9.007 1.00 0.00 C ATOM 410 CG ASN A 29 9.220 8.157 8.261 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.003 7.596 7.512 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.232 9.464 8.507 1.00 0.00 N ATOM 0 H ASN A 29 6.139 5.983 9.599 1.00 0.00 H new ATOM 0 HA ASN A 29 6.453 8.436 8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.968 7.841 9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.439 6.364 9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.926 10.061 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.547 9.869 9.145 1.00 0.00 H new ATOM 418 N LYS A 30 7.368 7.681 5.890 1.00 0.00 N ATOM 419 CA LYS A 30 7.645 7.247 4.531 1.00 0.00 C ATOM 420 C LYS A 30 8.955 7.879 4.056 1.00 0.00 C ATOM 421 O LYS A 30 9.031 9.093 3.868 1.00 0.00 O ATOM 422 CB LYS A 30 6.453 7.545 3.620 1.00 0.00 C ATOM 423 CG LYS A 30 6.261 9.053 3.443 1.00 0.00 C ATOM 424 CD LYS A 30 4.803 9.451 3.682 1.00 0.00 C ATOM 425 CE LYS A 30 4.538 10.878 3.196 1.00 0.00 C ATOM 426 NZ LYS A 30 3.085 11.162 3.188 1.00 0.00 N ATOM 0 H LYS A 30 7.415 8.690 6.034 1.00 0.00 H new ATOM 0 HA LYS A 30 7.781 6.166 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.608 7.078 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.549 7.107 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.907 9.590 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.562 9.346 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.143 8.757 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.571 9.376 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.050 11.590 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.946 11.009 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.913 12.080 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.588 10.415 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.732 11.191 4.166 1.00 0.00 H new ATOM 436 N HIS A 31 9.955 7.028 3.876 1.00 0.00 N ATOM 437 CA HIS A 31 11.258 7.488 3.427 1.00 0.00 C ATOM 438 C HIS A 31 12.160 6.284 3.152 1.00 0.00 C ATOM 439 O HIS A 31 12.637 5.635 4.082 1.00 0.00 O ATOM 440 CB HIS A 31 11.865 8.467 4.435 1.00 0.00 C ATOM 441 CG HIS A 31 12.711 9.549 3.807 1.00 0.00 C ATOM 442 ND1 HIS A 31 14.078 9.426 3.634 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.368 10.773 3.312 1.00 0.00 C ATOM 444 CE1 HIS A 31 14.528 10.533 3.061 1.00 0.00 C ATOM 445 NE2 HIS A 31 13.467 11.366 2.862 1.00 0.00 N ATOM 0 H HIS A 31 9.889 6.022 4.033 1.00 0.00 H new ATOM 0 HA HIS A 31 11.152 8.039 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.060 8.933 5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.475 7.909 5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.372 11.189 3.290 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.555 10.739 2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.511 12.292 2.437 1.00 0.00 H new ATOM 452 N GLY A 32 12.367 6.022 1.870 1.00 0.00 N ATOM 453 CA GLY A 32 13.204 4.907 1.460 1.00 0.00 C ATOM 454 C GLY A 32 12.803 4.402 0.072 1.00 0.00 C ATOM 455 O GLY A 32 12.012 5.040 -0.620 1.00 0.00 O ATOM 0 H GLY A 32 11.970 6.562 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.249 5.216 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.118 4.097 2.185 1.00 0.00 H new ATOM 459 N ARG A 33 13.368 3.260 -0.293 1.00 0.00 N ATOM 460 CA ARG A 33 13.080 2.662 -1.586 1.00 0.00 C ATOM 461 C ARG A 33 11.684 2.038 -1.582 1.00 0.00 C ATOM 462 O ARG A 33 10.988 2.069 -0.568 1.00 0.00 O ATOM 463 CB ARG A 33 14.111 1.588 -1.938 1.00 0.00 C ATOM 464 CG ARG A 33 14.998 2.039 -3.100 1.00 0.00 C ATOM 465 CD ARG A 33 15.806 0.866 -3.659 1.00 0.00 C ATOM 466 NE ARG A 33 16.673 1.331 -4.766 1.00 0.00 N ATOM 467 CZ ARG A 33 16.251 1.514 -6.024 1.00 0.00 C ATOM 468 NH1 ARG A 33 14.972 1.272 -6.344 1.00 0.00 N ATOM 469 NH2 ARG A 33 17.107 1.938 -6.963 1.00 0.00 N ATOM 0 H ARG A 33 14.024 2.733 0.284 1.00 0.00 H new ATOM 0 HA ARG A 33 13.126 3.452 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.729 1.373 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.601 0.662 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.380 2.469 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.675 2.824 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.415 0.424 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.132 0.087 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 33 17.653 1.524 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.320 0.948 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.651 1.411 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.081 2.122 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.785 2.077 -7.921 1.00 0.00 H new ATOM 480 N LYS A 34 11.314 1.485 -2.728 1.00 0.00 N ATOM 481 CA LYS A 34 10.013 0.854 -2.870 1.00 0.00 C ATOM 482 C LYS A 34 9.953 -0.387 -1.978 1.00 0.00 C ATOM 483 O LYS A 34 8.967 -0.604 -1.275 1.00 0.00 O ATOM 484 CB LYS A 34 9.714 0.569 -4.343 1.00 0.00 C ATOM 485 CG LYS A 34 8.226 0.281 -4.555 1.00 0.00 C ATOM 486 CD LYS A 34 8.010 -0.623 -5.769 1.00 0.00 C ATOM 487 CE LYS A 34 8.279 -2.088 -5.418 1.00 0.00 C ATOM 488 NZ LYS A 34 8.069 -2.952 -6.601 1.00 0.00 N ATOM 0 H LYS A 34 11.893 1.461 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 34 9.224 1.527 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.013 1.423 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.305 -0.283 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.814 -0.195 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.687 1.218 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.987 -0.514 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.669 -0.313 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.301 -2.199 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.618 -2.402 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.256 -3.943 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.087 -2.859 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.717 -2.663 -7.361 1.00 0.00 H new ATOM 498 N HIS A 35 11.021 -1.170 -2.036 1.00 0.00 N ATOM 499 CA HIS A 35 11.102 -2.384 -1.242 1.00 0.00 C ATOM 500 C HIS A 35 10.947 -2.040 0.240 1.00 0.00 C ATOM 501 O HIS A 35 10.227 -2.721 0.968 1.00 0.00 O ATOM 502 CB HIS A 35 12.396 -3.144 -1.542 1.00 0.00 C ATOM 503 CG HIS A 35 12.444 -4.533 -0.951 1.00 0.00 C ATOM 504 ND1 HIS A 35 12.147 -5.669 -1.683 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.757 -4.955 0.307 1.00 0.00 C ATOM 506 CE1 HIS A 35 12.279 -6.723 -0.890 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.656 -6.278 0.343 1.00 0.00 N ATOM 0 H HIS A 35 11.837 -0.987 -2.620 1.00 0.00 H new ATOM 0 HA HIS A 35 10.285 -3.053 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.521 -3.216 -2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.240 -2.569 -1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.039 -4.320 1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.117 -7.753 -1.171 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.831 -6.865 1.158 1.00 0.00 H new ATOM 514 N GLU A 36 11.635 -0.982 0.644 1.00 0.00 N ATOM 515 CA GLU A 36 11.583 -0.538 2.027 1.00 0.00 C ATOM 516 C GLU A 36 10.170 -0.070 2.381 1.00 0.00 C ATOM 517 O GLU A 36 9.652 -0.401 3.447 1.00 0.00 O ATOM 518 CB GLU A 36 12.608 0.567 2.287 1.00 0.00 C ATOM 519 CG GLU A 36 14.032 0.062 2.047 1.00 0.00 C ATOM 520 CD GLU A 36 15.051 0.913 2.807 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.789 1.183 3.999 1.00 0.00 O ATOM 522 OE2 GLU A 36 16.070 1.274 2.180 1.00 0.00 O ATOM 0 H GLU A 36 12.232 -0.419 0.038 1.00 0.00 H new ATOM 0 HA GLU A 36 11.837 -1.382 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.405 1.417 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.513 0.922 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.111 -0.977 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.256 0.087 0.980 1.00 0.00 H new ATOM 527 N LEU A 37 9.587 0.692 1.468 1.00 0.00 N ATOM 528 CA LEU A 37 8.244 1.209 1.670 1.00 0.00 C ATOM 529 C LEU A 37 7.245 0.050 1.634 1.00 0.00 C ATOM 530 O LEU A 37 6.343 -0.022 2.466 1.00 0.00 O ATOM 531 CB LEU A 37 7.938 2.317 0.661 1.00 0.00 C ATOM 532 CG LEU A 37 8.558 3.684 0.956 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.446 4.611 -0.256 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.942 4.305 2.212 1.00 0.00 C ATOM 0 H LEU A 37 10.020 0.964 0.586 1.00 0.00 H new ATOM 0 HA LEU A 37 8.159 1.673 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.279 1.990 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.856 2.437 0.600 1.00 0.00 H new ATOM 0 HG LEU A 37 9.620 3.542 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.894 5.576 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.968 4.167 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.396 4.752 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.400 5.276 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.869 4.432 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.118 3.650 3.065 1.00 0.00 H new ATOM 545 N LEU A 38 7.441 -0.827 0.660 1.00 0.00 N ATOM 546 CA LEU A 38 6.569 -1.978 0.504 1.00 0.00 C ATOM 547 C LEU A 38 6.597 -2.812 1.787 1.00 0.00 C ATOM 548 O LEU A 38 5.552 -3.226 2.285 1.00 0.00 O ATOM 549 CB LEU A 38 6.944 -2.768 -0.751 1.00 0.00 C ATOM 550 CG LEU A 38 6.061 -2.537 -1.979 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.665 -3.128 -1.770 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.006 -1.052 -2.342 1.00 0.00 C ATOM 0 H LEU A 38 8.191 -0.763 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 38 5.538 -1.657 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.972 -2.523 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.922 -3.830 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 38 6.508 -3.059 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.058 -2.950 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.746 -4.201 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.195 -2.655 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.372 -0.915 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.595 -0.488 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.012 -0.694 -2.562 1.00 0.00 H new ATOM 563 N THR A 39 7.805 -3.033 2.284 1.00 0.00 N ATOM 564 CA THR A 39 7.983 -3.809 3.499 1.00 0.00 C ATOM 565 C THR A 39 7.234 -3.158 4.663 1.00 0.00 C ATOM 566 O THR A 39 6.671 -3.850 5.510 1.00 0.00 O ATOM 567 CB THR A 39 9.485 -3.957 3.750 1.00 0.00 C ATOM 568 OG1 THR A 39 9.912 -4.889 2.760 1.00 0.00 O ATOM 569 CG2 THR A 39 9.791 -4.655 5.077 1.00 0.00 C ATOM 0 H THR A 39 8.670 -2.688 1.867 1.00 0.00 H new ATOM 0 HA THR A 39 7.556 -4.807 3.397 1.00 0.00 H new ATOM 0 HB THR A 39 9.953 -2.973 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.104 -4.414 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.870 -4.734 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.369 -4.076 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.352 -5.653 5.073 1.00 0.00 H new ATOM 577 N LYS A 40 7.251 -1.833 4.669 1.00 0.00 N ATOM 578 CA LYS A 40 6.581 -1.080 5.715 1.00 0.00 C ATOM 579 C LYS A 40 5.066 -1.230 5.555 1.00 0.00 C ATOM 580 O LYS A 40 4.349 -1.406 6.539 1.00 0.00 O ATOM 581 CB LYS A 40 7.057 0.374 5.718 1.00 0.00 C ATOM 582 CG LYS A 40 8.070 0.617 6.839 1.00 0.00 C ATOM 583 CD LYS A 40 8.705 2.003 6.714 1.00 0.00 C ATOM 584 CE LYS A 40 9.808 2.008 5.654 1.00 0.00 C ATOM 585 NZ LYS A 40 10.956 1.185 6.097 1.00 0.00 N ATOM 0 H LYS A 40 7.719 -1.262 3.965 1.00 0.00 H new ATOM 0 HA LYS A 40 6.840 -1.478 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.509 0.614 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.203 1.040 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.576 0.525 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.847 -0.147 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.941 2.735 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.119 2.305 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.418 1.622 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.136 3.030 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.819 1.502 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.081 1.288 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.776 0.187 5.868 1.00 0.00 H new ATOM 595 N ALA A 41 4.625 -1.156 4.308 1.00 0.00 N ATOM 596 CA ALA A 41 3.209 -1.282 4.007 1.00 0.00 C ATOM 597 C ALA A 41 2.755 -2.714 4.298 1.00 0.00 C ATOM 598 O ALA A 41 1.675 -2.927 4.847 1.00 0.00 O ATOM 599 CB ALA A 41 2.958 -0.875 2.553 1.00 0.00 C ATOM 0 H ALA A 41 5.223 -1.010 3.495 1.00 0.00 H new ATOM 0 HA ALA A 41 2.622 -0.615 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.896 -0.969 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.270 0.159 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.529 -1.524 1.890 1.00 0.00 H new ATOM 605 N LEU A 42 3.603 -3.658 3.918 1.00 0.00 N ATOM 606 CA LEU A 42 3.303 -5.064 4.131 1.00 0.00 C ATOM 607 C LEU A 42 3.179 -5.332 5.632 1.00 0.00 C ATOM 608 O LEU A 42 2.235 -5.985 6.074 1.00 0.00 O ATOM 609 CB LEU A 42 4.340 -5.945 3.432 1.00 0.00 C ATOM 610 CG LEU A 42 4.340 -5.897 1.903 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.560 -7.290 1.310 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.061 -5.245 1.375 1.00 0.00 C ATOM 0 H LEU A 42 4.498 -3.477 3.464 1.00 0.00 H new ATOM 0 HA LEU A 42 2.345 -5.322 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.330 -5.656 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.180 -6.977 3.743 1.00 0.00 H new ATOM 0 HG LEU A 42 5.175 -5.275 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.555 -7.227 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.520 -7.681 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.762 -7.955 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.087 -5.223 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.196 -5.820 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.988 -4.227 1.756 1.00 0.00 H new ATOM 623 N HIS A 43 4.147 -4.814 6.375 1.00 0.00 N ATOM 624 CA HIS A 43 4.158 -4.990 7.818 1.00 0.00 C ATOM 625 C HIS A 43 2.880 -4.399 8.417 1.00 0.00 C ATOM 626 O HIS A 43 2.398 -4.868 9.446 1.00 0.00 O ATOM 627 CB HIS A 43 5.429 -4.395 8.427 1.00 0.00 C ATOM 628 CG HIS A 43 6.565 -5.381 8.563 1.00 0.00 C ATOM 629 ND1 HIS A 43 7.601 -5.212 9.465 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.815 -6.548 7.903 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.432 -6.237 9.343 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.944 -7.063 8.375 1.00 0.00 N ATOM 0 H HIS A 43 4.928 -4.273 6.005 1.00 0.00 H new ATOM 0 HA HIS A 43 4.172 -6.053 8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.759 -3.559 7.809 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.193 -3.990 9.411 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.199 -6.980 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.337 -6.391 9.911 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.375 -7.934 8.064 1.00 0.00 H new ATOM 639 N LEU A 44 2.368 -3.377 7.746 1.00 0.00 N ATOM 640 CA LEU A 44 1.156 -2.716 8.199 1.00 0.00 C ATOM 641 C LEU A 44 -0.024 -3.682 8.070 1.00 0.00 C ATOM 642 O LEU A 44 -0.928 -3.678 8.904 1.00 0.00 O ATOM 643 CB LEU A 44 0.955 -1.396 7.454 1.00 0.00 C ATOM 644 CG LEU A 44 1.227 -0.123 8.258 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.735 1.116 7.508 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.623 -0.221 9.660 1.00 0.00 C ATOM 0 H LEU A 44 2.771 -2.991 6.892 1.00 0.00 H new ATOM 0 HA LEU A 44 1.238 -2.450 9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.603 -1.394 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.072 -1.360 7.091 1.00 0.00 H new ATOM 0 HG LEU A 44 2.305 -0.019 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.941 2.006 8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.251 1.191 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.338 1.035 7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.831 0.697 10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.455 -0.362 9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.063 -1.068 10.187 1.00 0.00 H new ATOM 657 N LEU A 45 0.023 -4.486 7.018 1.00 0.00 N ATOM 658 CA LEU A 45 -1.031 -5.454 6.769 1.00 0.00 C ATOM 659 C LEU A 45 -1.001 -6.526 7.861 1.00 0.00 C ATOM 660 O LEU A 45 -2.040 -6.883 8.414 1.00 0.00 O ATOM 661 CB LEU A 45 -0.917 -6.017 5.351 1.00 0.00 C ATOM 662 CG LEU A 45 -1.467 -5.131 4.231 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.505 -5.092 3.042 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.871 -5.577 3.819 1.00 0.00 C ATOM 0 H LEU A 45 0.775 -4.487 6.328 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.009 -4.975 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.134 -6.218 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.437 -6.974 5.319 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.552 -4.113 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.919 -4.456 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.456 -4.692 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.366 -6.101 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.239 -4.931 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.836 -6.607 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.540 -5.511 4.677 1.00 0.00 H new ATOM 675 N LYS A 46 0.201 -7.009 8.138 1.00 0.00 N ATOM 676 CA LYS A 46 0.380 -8.033 9.154 1.00 0.00 C ATOM 677 C LYS A 46 0.208 -7.407 10.539 1.00 0.00 C ATOM 678 O LYS A 46 -0.191 -8.084 11.485 1.00 0.00 O ATOM 679 CB LYS A 46 1.719 -8.748 8.964 1.00 0.00 C ATOM 680 CG LYS A 46 1.937 -9.802 10.051 1.00 0.00 C ATOM 681 CD LYS A 46 3.034 -9.367 11.025 1.00 0.00 C ATOM 682 CE LYS A 46 4.415 -9.465 10.374 1.00 0.00 C ATOM 683 NZ LYS A 46 5.403 -10.005 11.335 1.00 0.00 N ATOM 0 H LYS A 46 1.061 -6.711 7.677 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.384 -8.805 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.746 -9.222 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.530 -8.021 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.007 -9.966 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.209 -10.752 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.852 -8.342 11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.003 -9.993 11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.365 -10.108 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.733 -8.480 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.335 -10.065 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.463 -9.376 12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.106 -10.953 11.642 1.00 0.00 H new ATOM 693 N ALA A 47 0.516 -6.120 10.614 1.00 0.00 N ATOM 694 CA ALA A 47 0.401 -5.395 11.868 1.00 0.00 C ATOM 695 C ALA A 47 -1.053 -4.965 12.071 1.00 0.00 C ATOM 696 O ALA A 47 -1.400 -4.411 13.113 1.00 0.00 O ATOM 697 CB ALA A 47 1.365 -4.207 11.862 1.00 0.00 C ATOM 0 H ALA A 47 0.845 -5.561 9.827 1.00 0.00 H new ATOM 0 HA ALA A 47 0.677 -6.034 12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.278 -3.663 12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.387 -4.568 11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.118 -3.542 11.035 1.00 0.00 H new ATOM 703 N GLY A 48 -1.864 -5.235 11.059 1.00 0.00 N ATOM 704 CA GLY A 48 -3.272 -4.883 11.113 1.00 0.00 C ATOM 705 C GLY A 48 -3.484 -3.411 10.753 1.00 0.00 C ATOM 706 O GLY A 48 -3.132 -2.522 11.526 1.00 0.00 O ATOM 0 H GLY A 48 -1.572 -5.694 10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.835 -5.514 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.661 -5.076 12.113 1.00 0.00 H new ATOM 710 N CYS A 49 -4.057 -3.199 9.577 1.00 0.00 N ATOM 711 CA CYS A 49 -4.319 -1.851 9.104 1.00 0.00 C ATOM 712 C CYS A 49 -5.796 -1.756 8.717 1.00 0.00 C ATOM 713 O CYS A 49 -6.290 -2.568 7.935 1.00 0.00 O ATOM 714 CB CYS A 49 -3.399 -1.469 7.943 1.00 0.00 C ATOM 715 SG CYS A 49 -2.687 0.193 8.227 1.00 0.00 S ATOM 0 H CYS A 49 -4.347 -3.939 8.938 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.106 -1.137 9.899 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.600 -2.204 7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.958 -1.479 7.007 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.462 0.770 7.084 1.00 0.00 H new ATOM 720 N SER A 50 -6.460 -0.758 9.281 1.00 0.00 N ATOM 721 CA SER A 50 -7.871 -0.547 9.004 1.00 0.00 C ATOM 722 C SER A 50 -8.144 -0.731 7.510 1.00 0.00 C ATOM 723 O SER A 50 -7.219 -0.718 6.700 1.00 0.00 O ATOM 724 CB SER A 50 -8.319 0.844 9.459 1.00 0.00 C ATOM 725 OG SER A 50 -9.157 0.785 10.610 1.00 0.00 O ATOM 0 H SER A 50 -6.047 -0.087 9.928 1.00 0.00 H new ATOM 0 HA SER A 50 -8.444 -1.285 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.442 1.453 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.853 1.337 8.647 1.00 0.00 H new ATOM 0 HG SER A 50 -9.420 1.693 10.870 1.00 0.00 H new ATOM 730 N PRO A 51 -9.453 -0.901 7.182 1.00 0.00 N ATOM 731 CA PRO A 51 -9.860 -1.087 5.800 1.00 0.00 C ATOM 732 C PRO A 51 -9.803 0.233 5.029 1.00 0.00 C ATOM 733 O PRO A 51 -10.016 0.259 3.818 1.00 0.00 O ATOM 734 CB PRO A 51 -11.262 -1.670 5.877 1.00 0.00 C ATOM 735 CG PRO A 51 -11.767 -1.356 7.276 1.00 0.00 C ATOM 736 CD PRO A 51 -10.576 -0.921 8.115 1.00 0.00 C ATOM 0 HA PRO A 51 -9.195 -1.755 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.910 -1.230 5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.248 -2.745 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.519 -0.567 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.244 -2.232 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.741 0.061 8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.396 -1.614 8.937 1.00 0.00 H new ATOM 741 N ALA A 52 -9.515 1.298 5.763 1.00 0.00 N ATOM 742 CA ALA A 52 -9.427 2.619 5.163 1.00 0.00 C ATOM 743 C ALA A 52 -8.239 2.659 4.200 1.00 0.00 C ATOM 744 O ALA A 52 -8.351 3.185 3.093 1.00 0.00 O ATOM 745 CB ALA A 52 -9.319 3.674 6.266 1.00 0.00 C ATOM 0 H ALA A 52 -9.340 1.273 6.768 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.326 2.840 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.253 4.665 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.200 3.624 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.427 3.486 6.863 1.00 0.00 H new ATOM 751 N VAL A 53 -7.130 2.096 4.655 1.00 0.00 N ATOM 752 CA VAL A 53 -5.923 2.061 3.847 1.00 0.00 C ATOM 753 C VAL A 53 -6.090 1.027 2.732 1.00 0.00 C ATOM 754 O VAL A 53 -5.587 1.214 1.626 1.00 0.00 O ATOM 755 CB VAL A 53 -4.706 1.791 4.735 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.404 2.030 3.969 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.757 2.639 6.008 1.00 0.00 C ATOM 0 H VAL A 53 -7.042 1.660 5.573 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.754 3.027 3.372 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.733 0.742 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.555 1.831 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.362 1.364 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.366 3.065 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.881 2.428 6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.767 3.696 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.660 2.398 6.570 1.00 0.00 H new ATOM 767 N GLN A 54 -6.799 -0.043 3.062 1.00 0.00 N ATOM 768 CA GLN A 54 -7.040 -1.107 2.103 1.00 0.00 C ATOM 769 C GLN A 54 -7.787 -0.563 0.883 1.00 0.00 C ATOM 770 O GLN A 54 -7.565 -1.016 -0.238 1.00 0.00 O ATOM 771 CB GLN A 54 -7.808 -2.262 2.746 1.00 0.00 C ATOM 772 CG GLN A 54 -6.947 -2.981 3.788 1.00 0.00 C ATOM 773 CD GLN A 54 -7.603 -4.289 4.233 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.617 -4.717 3.705 1.00 0.00 O ATOM 775 NE2 GLN A 54 -6.971 -4.899 5.231 1.00 0.00 N ATOM 0 H GLN A 54 -7.214 -0.195 3.981 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.077 -1.495 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.715 -1.883 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.120 -2.969 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.962 -3.188 3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.798 -2.333 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.127 -4.487 5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.330 -5.779 5.600 1.00 0.00 H new ATOM 782 N MET A 55 -8.658 0.401 1.144 1.00 0.00 N ATOM 783 CA MET A 55 -9.440 1.011 0.082 1.00 0.00 C ATOM 784 C MET A 55 -8.553 1.857 -0.834 1.00 0.00 C ATOM 785 O MET A 55 -8.726 1.849 -2.052 1.00 0.00 O ATOM 786 CB MET A 55 -10.532 1.891 0.693 1.00 0.00 C ATOM 787 CG MET A 55 -11.573 1.044 1.426 1.00 0.00 C ATOM 788 SD MET A 55 -12.826 0.491 0.282 1.00 0.00 S ATOM 789 CE MET A 55 -14.094 1.707 0.599 1.00 0.00 C ATOM 0 H MET A 55 -8.839 0.775 2.076 1.00 0.00 H new ATOM 0 HA MET A 55 -9.892 0.218 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.084 2.603 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.017 2.471 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.091 0.185 1.893 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.031 1.627 2.225 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.956 1.508 -0.037 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.395 1.654 1.645 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.706 2.702 0.383 1.00 0.00 H new ATOM 797 N LYS A 56 -7.624 2.568 -0.212 1.00 0.00 N ATOM 798 CA LYS A 56 -6.710 3.419 -0.956 1.00 0.00 C ATOM 799 C LYS A 56 -5.875 2.556 -1.905 1.00 0.00 C ATOM 800 O LYS A 56 -5.493 3.005 -2.984 1.00 0.00 O ATOM 801 CB LYS A 56 -5.872 4.270 0.000 1.00 0.00 C ATOM 802 CG LYS A 56 -5.302 5.497 -0.715 1.00 0.00 C ATOM 803 CD LYS A 56 -6.260 6.686 -0.610 1.00 0.00 C ATOM 804 CE LYS A 56 -5.937 7.544 0.614 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.367 8.943 0.395 1.00 0.00 N ATOM 0 H LYS A 56 -7.484 2.572 0.798 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.264 4.127 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.486 4.588 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.058 3.671 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.339 5.762 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.123 5.261 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.192 7.293 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.287 6.326 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.437 7.137 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.866 7.514 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.140 9.512 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.871 9.333 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.393 8.968 0.226 1.00 0.00 H new ATOM 815 N ILE A 57 -5.616 1.332 -1.467 1.00 0.00 N ATOM 816 CA ILE A 57 -4.834 0.403 -2.264 1.00 0.00 C ATOM 817 C ILE A 57 -5.621 0.026 -3.520 1.00 0.00 C ATOM 818 O ILE A 57 -5.047 -0.108 -4.600 1.00 0.00 O ATOM 819 CB ILE A 57 -4.409 -0.801 -1.420 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.543 -0.363 -0.237 1.00 0.00 C ATOM 821 CG2 ILE A 57 -3.713 -1.856 -2.281 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.327 -1.519 0.742 1.00 0.00 C ATOM 0 H ILE A 57 -5.934 0.963 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.909 0.873 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.306 -1.263 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.580 -0.004 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.020 0.471 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.421 -2.701 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.395 -2.198 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.826 -1.422 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.708 -1.181 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.290 -1.859 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.828 -2.341 0.229 1.00 0.00 H new ATOM 833 N LYS A 58 -6.924 -0.135 -3.337 1.00 0.00 N ATOM 834 CA LYS A 58 -7.796 -0.494 -4.443 1.00 0.00 C ATOM 835 C LYS A 58 -7.910 0.692 -5.402 1.00 0.00 C ATOM 836 O LYS A 58 -7.877 0.516 -6.619 1.00 0.00 O ATOM 837 CB LYS A 58 -9.144 -0.995 -3.921 1.00 0.00 C ATOM 838 CG LYS A 58 -8.958 -2.175 -2.966 1.00 0.00 C ATOM 839 CD LYS A 58 -10.309 -2.721 -2.498 1.00 0.00 C ATOM 840 CE LYS A 58 -10.124 -3.796 -1.426 1.00 0.00 C ATOM 841 NZ LYS A 58 -11.140 -4.861 -1.580 1.00 0.00 N ATOM 0 H LYS A 58 -7.396 -0.023 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.372 -1.323 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.663 -0.185 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.773 -1.296 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.395 -2.965 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.371 -1.860 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.916 -1.907 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.850 -3.138 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.125 -4.225 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.205 -3.348 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.182 -5.429 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.070 -4.431 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.883 -5.473 -2.381 1.00 0.00 H new ATOM 851 N GLU A 59 -8.042 1.874 -4.819 1.00 0.00 N ATOM 852 CA GLU A 59 -8.161 3.089 -5.607 1.00 0.00 C ATOM 853 C GLU A 59 -6.849 3.379 -6.337 1.00 0.00 C ATOM 854 O GLU A 59 -6.854 3.720 -7.519 1.00 0.00 O ATOM 855 CB GLU A 59 -8.574 4.273 -4.730 1.00 0.00 C ATOM 856 CG GLU A 59 -9.697 3.878 -3.768 1.00 0.00 C ATOM 857 CD GLU A 59 -10.875 4.849 -3.873 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.602 6.057 -4.045 1.00 0.00 O ATOM 859 OE2 GLU A 59 -12.022 4.361 -3.779 1.00 0.00 O ATOM 0 H GLU A 59 -8.069 2.016 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.943 2.941 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.713 4.628 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.904 5.099 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.034 2.866 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.319 3.869 -2.746 1.00 0.00 H new ATOM 864 N LEU A 60 -5.755 3.233 -5.603 1.00 0.00 N ATOM 865 CA LEU A 60 -4.438 3.475 -6.167 1.00 0.00 C ATOM 866 C LEU A 60 -4.197 2.504 -7.324 1.00 0.00 C ATOM 867 O LEU A 60 -3.778 2.914 -8.406 1.00 0.00 O ATOM 868 CB LEU A 60 -3.368 3.409 -5.075 1.00 0.00 C ATOM 869 CG LEU A 60 -3.431 4.502 -4.006 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.875 3.998 -2.673 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.723 5.773 -4.479 1.00 0.00 C ATOM 0 H LEU A 60 -5.754 2.950 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.379 4.482 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.441 2.440 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.388 3.450 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.477 4.759 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.931 4.794 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.461 3.144 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.836 3.696 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.782 6.534 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.677 5.550 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.204 6.142 -5.385 1.00 0.00 H new ATOM 882 N TYR A 61 -4.471 1.236 -7.057 1.00 0.00 N ATOM 883 CA TYR A 61 -4.289 0.203 -8.063 1.00 0.00 C ATOM 884 C TYR A 61 -5.291 0.370 -9.207 1.00 0.00 C ATOM 885 O TYR A 61 -4.946 0.179 -10.372 1.00 0.00 O ATOM 886 CB TYR A 61 -4.557 -1.127 -7.356 1.00 0.00 C ATOM 887 CG TYR A 61 -4.284 -2.358 -8.221 1.00 0.00 C ATOM 888 CD1 TYR A 61 -2.995 -2.833 -8.358 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.325 -2.994 -8.865 1.00 0.00 C ATOM 890 CE1 TYR A 61 -2.738 -3.992 -9.172 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.068 -4.153 -9.680 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.787 -4.595 -9.793 1.00 0.00 C ATOM 893 OH TYR A 61 -3.544 -5.690 -10.562 1.00 0.00 O ATOM 0 H TYR A 61 -4.818 0.900 -6.159 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.287 0.255 -8.489 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.939 -1.181 -6.460 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.596 -1.149 -7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.180 -2.335 -7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.333 -2.622 -8.758 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.734 -4.374 -9.287 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.874 -4.660 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.386 -6.016 -10.942 1.00 0.00 H new ATOM 902 N ARG A 62 -6.513 0.723 -8.835 1.00 0.00 N ATOM 903 CA ARG A 62 -7.567 0.918 -9.815 1.00 0.00 C ATOM 904 C ARG A 62 -7.126 1.927 -10.877 1.00 0.00 C ATOM 905 O ARG A 62 -7.090 1.609 -12.064 1.00 0.00 O ATOM 906 CB ARG A 62 -8.852 1.416 -9.151 1.00 0.00 C ATOM 907 CG ARG A 62 -9.838 0.266 -8.933 1.00 0.00 C ATOM 908 CD ARG A 62 -11.280 0.734 -9.139 1.00 0.00 C ATOM 909 NE ARG A 62 -11.685 0.520 -10.547 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.922 0.737 -11.014 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.883 1.175 -10.189 1.00 0.00 N ATOM 912 NH2 ARG A 62 -13.198 0.515 -12.306 1.00 0.00 N ATOM 0 H ARG A 62 -6.796 0.879 -7.868 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.764 -0.046 -10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.614 1.882 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.314 2.183 -9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.613 -0.546 -9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.721 -0.132 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.947 0.187 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.369 1.790 -8.883 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.978 0.187 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.673 1.343 -9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.825 1.340 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.467 0.181 -12.934 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.139 0.680 -12.662 1.00 0.00 H new ATOM 923 N ARG A 63 -6.800 3.124 -10.411 1.00 0.00 N ATOM 924 CA ARG A 63 -6.362 4.182 -11.305 1.00 0.00 C ATOM 925 C ARG A 63 -5.202 3.695 -12.175 1.00 0.00 C ATOM 926 O ARG A 63 -4.935 4.261 -13.234 1.00 0.00 O ATOM 927 CB ARG A 63 -5.919 5.418 -10.520 1.00 0.00 C ATOM 928 CG ARG A 63 -7.125 6.251 -10.082 1.00 0.00 C ATOM 929 CD ARG A 63 -6.685 7.453 -9.244 1.00 0.00 C ATOM 930 NE ARG A 63 -6.043 8.466 -10.110 1.00 0.00 N ATOM 931 CZ ARG A 63 -5.461 9.584 -9.655 1.00 0.00 C ATOM 932 NH1 ARG A 63 -5.437 9.839 -8.340 1.00 0.00 N ATOM 933 NH2 ARG A 63 -4.903 10.447 -10.515 1.00 0.00 N ATOM 0 H ARG A 63 -6.831 3.384 -9.425 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.207 4.452 -11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.347 5.111 -9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.257 6.026 -11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.672 6.596 -10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.809 5.631 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.546 7.889 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.989 7.131 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.043 8.303 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.862 9.182 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.994 10.690 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.921 10.253 -11.516 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.460 11.298 -10.168 1.00 0.00 H new ATOM 944 N ARG A 64 -4.542 2.650 -11.696 1.00 0.00 N ATOM 945 CA ARG A 64 -3.417 2.081 -12.417 1.00 0.00 C ATOM 946 C ARG A 64 -3.828 0.772 -13.094 1.00 0.00 C ATOM 947 O ARG A 64 -2.975 -0.034 -13.465 1.00 0.00 O ATOM 948 CB ARG A 64 -2.240 1.813 -11.477 1.00 0.00 C ATOM 949 CG ARG A 64 -1.542 3.117 -11.086 1.00 0.00 C ATOM 950 CD ARG A 64 -0.057 2.881 -10.802 1.00 0.00 C ATOM 951 NE ARG A 64 0.770 3.670 -11.741 1.00 0.00 N ATOM 952 CZ ARG A 64 2.104 3.773 -11.664 1.00 0.00 C ATOM 953 NH1 ARG A 64 2.770 3.137 -10.691 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.772 4.512 -12.561 1.00 0.00 N ATOM 0 H ARG A 64 -4.765 2.183 -10.817 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.107 2.803 -13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.594 1.303 -10.581 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.527 1.146 -11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.651 3.847 -11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.022 3.540 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.175 3.164 -9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.177 1.821 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 64 0.295 4.167 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.262 2.574 -10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.785 3.215 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.265 4.996 -13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.787 4.590 -12.502 1.00 0.00 H new ATOM 965 N PHE A 65 -5.134 0.601 -13.236 1.00 0.00 N ATOM 966 CA PHE A 65 -5.668 -0.597 -13.863 1.00 0.00 C ATOM 967 C PHE A 65 -4.785 -1.046 -15.028 1.00 0.00 C ATOM 968 O PHE A 65 -4.720 -0.376 -16.057 1.00 0.00 O ATOM 969 CB PHE A 65 -7.056 -0.240 -14.398 1.00 0.00 C ATOM 970 CG PHE A 65 -8.169 -1.171 -13.913 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.774 -0.942 -12.717 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.552 -2.228 -14.677 1.00 0.00 C ATOM 973 CE1 PHE A 65 -9.807 -1.806 -12.266 1.00 0.00 C ATOM 974 CE2 PHE A 65 -9.585 -3.093 -14.227 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.191 -2.863 -13.031 1.00 0.00 C ATOM 0 H PHE A 65 -5.838 1.271 -12.928 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.708 -1.410 -13.139 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.296 0.781 -14.102 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.030 -0.259 -15.488 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.469 -0.103 -12.110 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.071 -2.410 -15.627 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.287 -1.624 -11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.889 -3.933 -14.834 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.977 -3.520 -12.689 1.00 0.00 H new TER 984 PHE A 65